SCHEMBL2720122

SCHEMBL2720122

CCC(C)c1cc(-c2ccc(-c3ccc(O)cc3)cc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.54
TSHR P16473 1/20 0.50
ALOX5 P09917 1/20 0.50
MGLL Q99685 7/20 0.46
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 5/20 0.42
ESR2 Q92731 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22500129 1.00 RORC (0.54) RORCTSHRALOX5MGLLUSP2
SCHEMBL22316988 0.86 ALOX15 (0.46) RORCTSHRALOX5MGLLUSP2
SCHEMBL16581418 0.85 TSHR (0.55) RORCTSHRALOX5USP2ALDH1A1
SCHEMBL4229545 0.85 MGLL (0.47) RORCTSHRALOX5MGLLESR1
SCHEMBL122882 0.84 RORC (0.61) RORCTSHRUSP2ALDH1A1GAA
SCHEMBL2721255 0.84 RORC (0.46) RORCTSHRALOX5MGLLUSP2
SCHEMBL2721584 0.84 RORC (0.46) RORCTSHRALOX5MGLLUSP2
SCHEMBL19842185 0.82 ALOX5 (0.56) ALOX5MGLLESR1ESR2MEN1
SCHEMBL29392149 0.82 ALOX5 (0.56) ALOX5MGLLESR1ESR2MEN1
SCHEMBL503448 0.82 ALOX5 (0.56) ALOX5MGLLESR1ESR2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1375461-B1 DIPHENOL AND PROCESS FOR PRODUCING THE SAME HONSHU CHEMICAL IND (JP) 2009-08-05 EP claimed
EP-1995245-B1 METHOD FOR PRODUCING EPOXY COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-05-02 EP disclosed
EP-1375461-B1 DIPHENOL AND PROCESS FOR PRODUCING THE SAME HONSHU CHEMICAL IND (JP) 2009-08-05 EP disclosed
CN-101400665-A Method for producing epoxy compound SUMITOMO CHEMICAL CO (JP) 2009-04-01 CN disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1995245-A1 METHOD FOR PRODUCING EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 EP disclosed
US-6872858-B2 Diphenol and process for producing the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2005-03-29 US disclosed
US-20040049086-A1 Diphenol and process for producing the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2004-03-11 US disclosed
EP-1375461-A1 DIPHENOL AND PROCESS FOR PRODUCING THE SAME Honshu Chemical Industry Co. Ltd. (JP) 2004-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 RORC 1853/4885TSHR 2772/4885ALOX5 609/4885
US-20040049086-A1 Diphenol and process for producing the same CYP1A1, AHR, CYP2E1 RORC 971/4885TSHR 3811/4885ALOX5 907/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.